(4-cyclohexylphenyl)methanol | 208259-47-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-cyclohexylphenyl)methanol
• 英文别名: 4-(cyclohexyl)benzyl alcohol；4-cyclohexylphenylmethyl alcohol
• CAS: 208259-47-6
• 化学式: C₁₃H₁₈O
• 分子量: 190.285
• InChiKey: SMHACOFUYOUOBL-UHFFFAOYSA-N

物化性质

• 熔点：
  41 °C
• 沸点：
  162 °C(Press: 12 Torr)
• 密度：
  1.031±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (4-cyclohexylphenyl)methanol 在 硝酸 作用下， 生成 对环己基苯甲酸
  参考文献：
  名称：

  Bodroux; Thomassin, Bulletin de la Societe Chimique de France, 1939, vol. <5> 6, p. 1411,1412

  摘要：

  DOI：
• 作为产物：
  描述：

  acetic acid-(4-cyclohexyl-benzyl ester) 生成 (4-cyclohexylphenyl)methanol
  参考文献：
  名称：

  v. Braun; Irmisch; Nelles, Chemische Berichte, 1933, vol. 66, p. 1471,1474

  摘要：

  DOI：

文献信息

• [EN] NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE PROTÉINE TYROSINE PHOSPHATASE - IB
  申请人：LUPIN LTD

  公开号：WO2009109999A1

  公开（公告）日：2009-09-11

  The present invention relates to the novel compounds of the general formula (I), wherein the symbols are same as described in specification, their pharmaceutically acceptable salts, pharmaceutical compositions containing them, to process and intermediates for the preparation of the above said compounds, having the utility of these compounds in medicine and to methods for their therapeutic use, and their use in the treatment of metabolic disorders.

  本发明涉及一般式（I）的新化合物，其中符号与规范中描述的相同，它们的药学上可接受的盐，含有它们的药物组合物，用于制备上述化合物的过程和中间体，这些化合物在医学上的用途，以及它们的治疗用途的方法，以及它们在治疗代谢紊乱中的应用。
• Identification of Purine-Scaffold Small-Molecule Inhibitors of Stat3 Activation by QSAR Studies
  作者：Vijay M. Shahani、Peibin Yue、Sina Haftchenary、Wei Zhao、Julie L. Lukkarila、Xiaolei Zhang、Daniel Ball、Christina Nona、Patrick T. Gunning、James Turkson

  DOI：10.1021/ml100224d

  日期：2011.1.13

  useful Stat3 inhibitors, computational analysis of the binding to Stat3 of the existing Stat3 dimerization disruptors and quantitative structure−activity relationships (QSAR) were pursued, by which a pharmacophore model was derived for predicting optimized Stat3 dimerization inhibitors. The 2,6,9-trisubstituted-purine scaffold was functionalized in order to access the three subpockets of the Stat3 SH2

  为了促进临床上有用的 Stat3 抑制剂的发现，对现有 Stat3 二聚化干扰物与 Stat3 的结合和定量构效关系 (QSAR) 进行了计算分析，由此衍生了药效团模型来预测优化的 Stat3 二聚化抑制剂。对 2,6,9-三取代嘌呤支架进行功能化，以便进入 Stat3 SH2 结构域表面的三个亚袋并衍生出有效的 Stat3 结合抑制剂。选择的嘌呤支架对纯化的非磷酸化 Stat3 表现出良好的亲和力（KD ，0.8−12 μM） ，并在体外抑制 Stat3 DNA 结合活性，并在 20−60 μM 时抑制细胞内磷酸化。此外，药物选择性抑制人类前列腺癌细胞、乳腺癌细胞和胰腺癌细胞以及具有异常 Stat3 活性的 v-Src 转化小鼠成纤维细胞的活力。本文的研究确定了新型小分子三取代嘌呤作为持续活性 Stat3 和 Stat3 依赖性肿瘤细胞活力的有效抑制剂，并且首次验证了使用嘌呤碱基作为构建新型
• Tyrosine phosphatase inhibitors
  申请人：——

  公开号：US20030144338A1

  公开（公告）日：2003-07-31

  A compound of the formula (I): 1 wherein X 1 and X 2 are the same or different and each is a bond or a spacer having 1 to 20 atom(s) in the main chain; one of R 1 and R 2 is a cycle group having substituent(s) selected from 1) an optionally substituted carboxy-C 1-6 alkoxy group and 2) an optionally substituted carboxy-C 1-6 aliphatic hydrocarbon group, wherein the cycle group optionally has additional substituent(s), and the other is an optionally substituted cycle group or a hydrogen atom; and R 3 , R 4 and R 5 are the same or different and each is a hydrogen atom or a substituent, or R 4 may link together with R 3 or R 5 to form an optionally substituted ring; provided that when R 3 is a hydrogen atom, R 4 is a hydrogen atom and R 5 is methyl, X 2 —R 2 is not 4-cyclohexylphenyl; when R 3 is 4-methoxyphenyl, R 4 is a hydrogen atom and R 5 is methyl, X 2 —R 2 is not 4-methoxyphenyl; and when R 1 or R 2 is a hydrogen atom, the adjacent X 1 or X 2 is not a C 1-7 alkylene; or a salt thereof exhibits a protein tyrosine phosphatase inhibitory action and is useful as a prophylactic or therapeutic agent for diabetes or the like.

  式（I）的化合物： 其中X1和X2相同或不同，每个都是主链中具有1至20个原子的键或间隔物； R1和R2中的一个是具有取代基的环基，所述取代基选自1）可选择地取代的羧基-C1-6烷氧基和2）可选择地取代的羧基-C1-6脂肪烃基，其中所述环基可选择地具有额外的取代基，另一个是可选择地取代的环基或氢原子；以及 R3、R4和R5相同或不同，每个是氢原子或取代基，或R4可以与R3或R5结合形成可选择地取代的环； 但是当R3是氢原子时，R4是氢原子且R5是甲基时，X2—R2不是4-环己基苯基；当R3是4-甲氧基苯基，R4是氢原子且R5是甲基时，X2—R2不是4-甲氧基苯基；当R1或R2是氢原子时，相邻的X1或X2不是C1-7烷基； 或其盐具有蛋白酪氨酸磷酸酶抑制作用，并且可用作糖尿病等疾病的预防或治疗剂。
• Compounds for inhibiting &bgr;-amyloid peptide release and/or its synthesis
  申请人：Elan Pharmaceuticals, Inc.

  公开号：US06211235B1

  公开（公告）日：2001-04-03

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis.

  揭示了一种抑制β-淀粉样肽释放和/或其合成的化合物，因此在治疗阿尔茨海默病方面具有用途。还揭示了包含抑制β-淀粉样肽释放和/或其合成的化合物的药物组合物。
• SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF
  申请人：CAO Bin

  公开号：US20100075994A1

  公开（公告）日：2010-03-25

  The present invention relates to a series of substituted dihydro and tetrahydro oxazolopyrimidinones, specifically, to a series of 2-substituted-2,3-dihydro-oxazolo[3,2-a]pyrimidin-7-ones and 2-substituted-2,3,5,6-tetra-hydro-oxazolo[3,2-a]pyrimidin-7-ones of formula (I): Wherein p, n, X, Y, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are as defined herein. This invention also relates to methods of making these compounds including novel intermediates. The compounds of this invention are modulators of metabotropic glutamate receptors (mGluR), particularly, mGluR2 receptor. Therefore, the compounds of this invention are useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of central nervous system disorders (CNS), including but not limited to acute and chronic neurodegenerative conditions, psychoses, convulsions, anxiety, depression, migraine, pain, sleep disorders and emesis.

  本发明涉及一系列取代二氢和四氢噁唑嘧啶酮，具体地说，涉及一系列式(I)的2-取代-2,3-二氢-噁唑并[3,2-a]嘧啶-7-酮和2-取代-2,3,5,6-四氢-噁唑并[3,2-a]嘧啶-7-酮： 其中p、n、X、Y、R1、R2、R3、R4、R5、R6、R7和R8如本文所定义。本发明还涉及制备这些化合物的方法，包括新颖的中间体。本发明的化合物是代谢型谷氨酸受体（mGluR）的调节剂，特别是mGluR2受体。因此，本发明的化合物在药物制剂中具有用途，特别是在治疗和/或预防各种中枢神经系统疾病（CNS）方面，包括但不限于急性和慢性神经退行性疾病、精神病、癫痫、焦虑、抑郁、偏头痛、疼痛、睡眠障碍和呕吐。